## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
F |
110 |
19 |
2184 |
◊ |
E |
x,y,z |
1_555 |
148 |
46 |
9468 |
1335.7 |
-27.8 |
0.051 |
4 |
4 |
0 |
0.377 |
2 |
2 |
|
H |
106 |
18 |
2238 |
◊ |
G |
x,y,z |
1_555 |
139 |
42 |
9173 |
1298.9 |
-27.5 |
0.051 |
7 |
5 |
0 |
0.390 |
3 |
|
B |
105 |
18 |
2204 |
◊ |
A |
x,y,z |
1_555 |
143 |
44 |
9049 |
1294.1 |
-29.3 |
0.037 |
4 |
2 |
0 |
0.390 |
4 |
|
D |
104 |
18 |
2176 |
◊ |
C |
x,y,z |
1_555 |
146 |
46 |
9144 |
1289.9 |
-26.9 |
0.088 |
7 |
4 |
0 |
0.390 |
Average: |
1294.3 |
-27.9 |
0.059 |
6 |
4 |
0 |
0.390 |
3 |
5 |
|
A |
77 |
20 |
9049 |
◊ |
E |
x,y,z-1 |
1_554 |
79 |
19 |
9468 |
760.9 |
-9.9 |
0.218 |
3 |
4 |
0 |
0.121 |
6 |
|
C |
75 |
18 |
9144 |
◊ |
G |
x,y,z-1 |
1_554 |
73 |
19 |
9173 |
730.3 |
-10.8 |
0.171 |
4 |
7 |
0 |
0.121 |
Average: |
745.6 |
-10.4 |
0.195 |
4 |
6 |
0 |
0.121 |
4 |
7 |
|
A |
54 |
15 |
9049 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
15 |
9173 |
501.2 |
-0.7 |
0.730 |
7 |
3 |
0 |
0.000 |
5 |
8 |
|
E |
32 |
13 |
9468 |
◊ |
A |
x,y,z |
1_555 |
33 |
14 |
9049 |
291.1 |
0.9 |
0.781 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
35 |
9 |
9144 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
9049 |
287.0 |
-2.4 |
0.463 |
0 |
0 |
0 |
0.018 |
10 |
|
G |
27 |
9 |
9173 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
9468 |
226.2 |
-0.5 |
0.668 |
3 |
2 |
0 |
0.018 |
Average: |
256.6 |
-1.4 |
0.565 |
2 |
1 |
0 |
0.018 |
7 |
11 |
|
E |
36 |
11 |
9468 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
36 |
10 |
9173 |
275.5 |
-1.8 |
0.607 |
1 |
0 |
0 |
0.009 |
8 |
12 |
|
C |
28 |
7 |
9144 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
34 |
6 |
9144 |
274.8 |
0.2 |
0.677 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
G |
26 |
9 |
9173 |
◊ |
C |
x,y,z |
1_555 |
25 |
9 |
9144 |
223.8 |
-0.5 |
0.691 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
19 |
4 |
9049 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
24 |
8 |
9173 |
184.8 |
0.2 |
0.747 |
1 |
2 |
0 |
0.000 |
11 |
15 |
|
E |
21 |
7 |
9468 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
17 |
6 |
9144 |
176.3 |
0.8 |
0.795 |
3 |
4 |
0 |
0.000 |
12 |
16 |
|
C |
16 |
6 |
9144 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
6 |
2176 |
148.5 |
-0.4 |
0.713 |
2 |
3 |
0 |
0.000 |
13 |
17 |
|
A |
14 |
5 |
9049 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
9468 |
117.8 |
-0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]E:5003 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
9468 |
97.3 |
2.8 |
0.485 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]E:5004 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
9468 |
87.7 |
2.1 |
0.268 |
3 |
0 |
0 |
0.000 |
16 |
20 |
|
C |
8 |
2 |
9144 |
◊ |
E |
x,y,z-1 |
1_554 |
7 |
2 |
9468 |
84.3 |
1.3 |
0.854 |
2 |
1 |
0 |
0.000 |
17 |
21 |
|
[EDO]C:5001 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9144 |
84.1 |
1.8 |
0.267 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]C:5002 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
9144 |
83.6 |
2.7 |
0.292 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[SO4]A:4001 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9049 |
75.5 |
-10.2 |
0.706 |
1 |
0 |
0 |
0.133 |
20 |
24 |
|
B |
5 |
2 |
2204 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
11 |
7 |
9173 |
64.9 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
C |
11 |
5 |
9144 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
11 |
4 |
9173 |
60.8 |
1.0 |
0.799 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
A |
10 |
4 |
9049 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
4 |
9144 |
57.5 |
0.1 |
0.673 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[SO4]A:4001 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
9468 |
55.8 |
-7.0 |
0.859 |
3 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]C:5001 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9049 |
48.9 |
1.4 |
0.785 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]E:5004 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
9173 |
46.7 |
1.2 |
0.811 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
A |
4 |
2 |
9049 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
9144 |
46.1 |
0.4 |
0.739 |
1 |
1 |
0 |
0.000 |
27 |
31 |
|
[CA]A:1002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9049 |
44.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.224 |
32 |
|
[CA]C:1006 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
9144 |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.224 |
33 |
|
[CA]G:1014 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
9173 |
42.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.224 |
34 |
|
[CA]E:1010 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
9468 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.224 |
28 |
35 |
|
[CA]G:1016 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
9173 |
43.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
36 |
|
[CA]A:1004 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
9049 |
43.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.225 |
37 |
|
[CA]C:1008 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9144 |
43.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
38 |
|
[CA]E:1012 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
9468 |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
Average: |
43.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.225 |
29 |
39 |
|
[CA]E:1009 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
9468 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
40 |
|
[CA]C:1005 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
9144 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
41 |
|
[CA]G:1013 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
3 |
3 |
9173 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
Average: |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.225 |
30 |
42 |
|
[CA]C:1007 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9144 |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.222 |
43 |
|
[CA]E:1011 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
5 |
5 |
9468 |
43.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.222 |
44 |
|
[CA]G:1015 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
5 |
5 |
9173 |
42.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.222 |
45 |
|
[CA]A:1003 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
9049 |
41.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.222 |
Average: |
42.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.222 |
31 |
46 |
|
B |
2 |
1 |
2204 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9144 |
31.9 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
E |
5 |
5 |
9468 |
x |
E |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
3 |
9468 |
26.9 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
E |
4 |
1 |
9468 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
9144 |
25.2 |
0.8 |
0.801 |
0 |
1 |
0 |
0.000 |
34 |
49 |
|
[EDO]E:5003 |
3 |
1 |
184 |
f |
G |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
2 |
9173 |
22.3 |
0.5 |
0.739 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
E |
2 |
1 |
9468 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
9049 |
21.4 |
0.5 |
0.595 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
A |
5 |
2 |
9049 |
◊ |
G |
x-1,y,z-1 |
1_454 |
3 |
2 |
9173 |
17.5 |
-0.2 |
0.518 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
C |
4 |
2 |
9144 |
f |
[EDO]C:5002 |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
184 |
14.6 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
D |
3 |
1 |
2176 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
1 |
9173 |
8.4 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
54 |
|
C |
1 |
1 |
9144 |
◊ |
H |
x,y,z-1 |
1_554 |
1 |
1 |
2238 |
3.3 |
0.2 |
0.840 |
0 |
0 |
0 |
0.000 |
Average: |
5.9 |
0.0 |
0.721 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
A |
1 |
1 |
9049 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
2184 |
8.4 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
A |
1 |
1 |
9049 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
9049 |
8.3 |
0.3 |
0.769 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[SO4]A:4001 |
1 |
1 |
187 |
f |
[CA]A:1003 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
42 |
58 |
|
H |
1 |
1 |
2238 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
9173 |
0.3 |
0.0 |
0.744 |
0 |
0 |
0 |
0.000 |
|